{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0964554 0.9453783 1.033805 ] [ 0.3537174 0.7305408 2.827753 ] [ 0.9097692 2.353277 1.204642 ] [ 0.0320969 2.73021 2.755149 ] [ 2.067566 0.358515 1.282199 ] [ 2.580778 1.703479 2.85822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.64554e-12 9.453783e-11 1.033805e-10 ] [ 3.537174000000001e-11 7.305408e-11 2.827753e-10 ] [ 9.097692e-11 2.353277e-10 1.204642e-10 ] [ 3.20969e-12 2.73021e-10 2.755149e-10 ] [ 2.067566e-10 3.58515e-11 1.282199e-10 ] [ 2.580778e-10 1.703479e-10 2.85822e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -40.185032 -42.2541865 -45.0093932 ] [ -4.6231077 -27.6147572 48.6607853 ] [ 32.7371677 59.9368401 -30.4160576 ] [ -19.907457 27.3133276 27.9331479 ] [ 20.4439078 -22.5912475 -11.8338391 ] [ 11.5345213 5.2100235 10.6653567 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.438351930694229e-08 -6.769867029897824e-08 -7.211299809555848e-08 ] [ -7.407035133405482e-09 -4.424371873942326e-08 7.796317319975067e-08 ] [ 5.245072515227952e-08 9.602940472401421e-08 -4.873189678511811e-08 ] [ -3.189526244775973e-08 4.376077527750729e-08 4.475383687944616e-08 ] [ 3.275475138481034e-08 -3.619516887741091e-08 -1.895990049653559e-08 ] [ 1.84803405112353e-08 8.347377914290898e-09 1.708778529801535e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 37.487183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.006108867708202e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3985557 0.9407344 0.9166936 ] [ 0.5147913 0.2117872 3.2543005 ] [ 1.4986698 2.7286796 0.7329556 ] [ -0.0878709 2.7155969 2.8096572 ] [ 2.1013318 0.2248698 1.1775987 ] [ 2.4120167 1.9997323 3.0705623 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.985557e-11 9.407344e-11 9.166936e-11 ] [ 5.147912999999999e-11 2.117872e-11 3.2543005e-10 ] [ 1.4986698e-10 2.7286796e-10 7.329556e-11 ] [ -8.78709e-12 2.7155969e-10 2.8096572e-10 ] [ 2.1013318e-10 2.248698e-11 1.1775987e-10 ] [ 2.4120167e-10 1.9997323e-10 3.0705623e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 -1e-07 -7e-07 ] [ -1.4e-06 -1.9e-06 1.4e-06 ] [ 1e-06 1.5e-06 -2.1e-06 ] [ -2.3e-06 1.3e-06 9e-07 ] [ 2.7e-06 -1e-06 -4e-07 ] [ 2.9e-06 3e-07 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.486094575199999e-15 -1.602176634e-16 -1.1215236438e-15 ] [ -2.2430472876e-15 -3.0441356046e-15 2.2430472876e-15 ] [ 1.602176634e-15 2.403264951e-15 -3.364570931399999e-15 ] [ -3.685006258199999e-15 2.0828296242e-15 1.4419589706e-15 ] [ 4.3258769118e-15 -1.602176634e-15 -6.408706536e-16 ] [ 4.6463122386e-15 4.806529901999999e-16 1.4419589706e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.315328 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.614003729764595e-18 } }